Pharmacology agent for ADME/PK profiling of drug candidates from SMILES. Computes drug-likeness (Lipinski Ro5, Veber rules), QED, SA Score, ADME predictions (BBB permeability, aqueous solubility, GI absorption, CYP3A4 inhibition, P-gp substrate, plasma protein binding), and PAINS alerts. Chains from chemistry-query for SMILES input. Triggers on pharmacology, ADME, PK/PD, drug likeness, Lipinski, absorption, distribution, metabolism, excretion, BBB, solubility, bioavailability, lead optimization, drug profiling.

基于SMILES的药物候选物ADME/PK特性分析工具，计算药物相似性（类脂规则、Veber规则）、QED、SA分数及ADME预测（血脑屏障渗透性、水溶性、胃肠道吸收、CYP3A4抑制、P-糖蛋白底物、血浆蛋白结合）与PAINS警示。通过化学查询链获取SMILES输入，触发关键词包括药理学、ADME、PK/PD、药物相似性、脂溶性规则、吸收、分布、代谢、排泄、血脑屏障、溶解度、生物利用度、先导化合物优化、药物特性分析。